SCHEMBL4495337

SCHEMBL4495337

CC(=O)N1C(=O)C(=C(Cl)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
TRPA1 O75762 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
SNCA P37840 2/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MDM2 Q00987 1/20 0.36
POLB P06746 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4495335 1.00 ALDH1A1 (0.40) ALDH1A1MAPK1FLT1FLT4KDR
SCHEMBL4480293 0.89 CES1 (0.41) ALDH1A1MAPK1FLT1FLT4KDR
SCHEMBL4480297 0.89 CES1 (0.41) ALDH1A1MAPK1FLT1FLT4KDR
SCHEMBL6328682 0.87 ALDH1A1 (0.44) ALDH1A1MAPK1FLT1FLT4KDR
SCHEMBL6328679 0.87 ALDH1A1 (0.44) ALDH1A1MAPK1FLT1FLT4KDR
SCHEMBL6325583 0.85 CASP1 (0.44) ALDH1A1MAPK1LMNAHPGDCA12
SCHEMBL6327806 0.85 CES1 (0.48) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL6325589 0.85 CASP1 (0.44) ALDH1A1MAPK1LMNAHPGDCA12
SCHEMBL6327809 0.85 CES1 (0.48) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL3934390 0.82 KMT2A (0.44) MEN1KMT2AMAPTKDM4EHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR ALDH1A1 2036/4885MAPK1 273/4885FLT1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.